SMIRKS
[N:11]([C:12]1:[N:13]:[C:14]2:[C:15](:[N:16]:[C:17]([H:55]):[N:18]:2[C@:19]2([H:56])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:57])[O:27][P:28](=[O:29])([O:30][H:58])[O:31][P:32](=[O:33])([O:34][H:59])[O:35][H:60])([H:61])[H:62])([H:63])[C@:36]([O:37][H:64])([H:65])[C@:38]2([O:39][H:66])[H:67]):[C:40](=[O:41]):[N:42]:1[H:68])([H:69])[H:70]>>[H]OC(=O)C([H])([H])[C@@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])O[P:32](=[O:33])([O:34][H:59])[O:35][H:60].[H][O:31][P:28]([O:27][P:24]([O:23][C:22]([C@@:21]1([H:63])[O:20][C@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([N:11]([H:69])[H:70]):[N:42]([H:68]):[C:40](=[O:41]):[C:15]:3:[N:16]:[C:17]:2[H:55])([H:56])[C@@:38]([O:39][H:66])([H:67])[C@@:36]1([O:37][H:64])[H:65])([H:61])[H:62])(=[O:25])[O:26][H:57])(=[O:29])[O:30][H:58]
Derived Operators
EVODEX.1-F383 - Elemental Balance
| O | 4 |
| C | 6 |
| H | 12 |
EVODEX.1-M382 - Mass Difference
148.07356
EVODEX.1-E1178 - Reaction Operator E
[#15:26]-[#8:29]-[#15:30](=[#8:31])(-[#8:32])-[#8:33]>>[#6](-[#6@@](-[#8]-[H])(-[#6](-[#6](-[#8]-[#15:30](=[#8:31])(-[#8:32])-[#8:33])(-[H])-[H])(-[H])-[H])-[#6](-[#6](=[#8])-[#8]-[H])(-[H])-[H])(-[H])(-[H])-[H].[#15:26]-[#8:29]-[H]
EVODEX.1-C1083 - Reaction Operator C
([#8:31]-[#15:32].[#6@:36]-[#6@:38])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:32].([H]-[#8:31].[#6@@:38]-[#6@@:36])
EVODEX.1-N1332 - Reaction Operator N
([#15:28]-[#8:31]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].[#8:37]-[#6@@:36](-[#6@@:21])(-[H:65])-[#6@:38](-[#6@:19])(-[#8:39])-[H:67])>>[H]-[#8]-[#6](=[#8])-[#6](-[H])(-[H])-[#6@@](-[#8]-[H])(-[#6](-[H])(-[H])-[H])-[#6](-[H])(-[H])-[#6](-[H])(-[H])-[#8]-[#15:32](=[#8:33])(-[#8:34])-[#8:35].([H]-[#8:31]-[#15:28].[#8:39]-[#6@:38](-[#6@:19])(-[H:67])-[#6@@:36](-[#6@@:21])(-[#8:37])-[H:65])
EVODEX.1-Em9 - Reaction Operator Em
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
EVODEX.1-Nm10 - Reaction Operator Nm
[#15:11]-[#8:14]-[#15:15](=[#8:16])(-[#8:17])-[#8:18]>>[#6]-[#8]-[#15:15](=[#8:16])(-[#8:17])-[#8:18].[H]-[#8:14]-[#15:11]
Source Full Reactions
EVODEX.1-R4024
[H][O:6][C:5]([C:4]([C@@:2]([C:1]([H:52])([H:53])[H:54])([O:3][H:43])[C:7]([C:8](=[O:9])[O:10][H:49])([H:50])[H:51])([H:47])[H:48])([H:45])[H:46].[N:11]([C:12]1:[N:13]:[C:14]2:[C:15](:[N:16]:[C:17]([H:55]):[N:18]:2[C@:19]2([H:56])[O:20][C@@:21]([C:22]([O:23][P:24](=[O:25])([O:26][H:57])[O:27][P:28](=[O:29])([O:30][H:58])[O:31][P:32](=[O:33])([O:34][H:59])[O:35][H:60])([H:61])[H:62])([H:63])[C@:36]([O:37][H:64])([H:65])[C@:38]2([O:39][H:66])[H:67]):[C:40](=[O:41]):[N:42]:1[H:68])([H:69])[H:70]>>[C:1]([C@@:2]([O:3][H:43])([C:4]([C:5]([O:6][P:32](=[O:33])([O:34][H:59])[O:35][H:60])([H:45])[H:46])([H:47])[H:48])[C:7]([C:8](=[O:9])[O:10][H:49])([H:50])[H:51])([H:52])([H:53])[H:54].[H][O:31][P:28]([O:27][P:24]([O:23][C:22]([C@@:21]1([H:63])[O:20][C@:19]([N:18]2:[C:14]3:[N:13]:[C:12]([N:11]([H:69])[H:70]):[N:42]([H:68]):[C:40](=[O:41]):[C:15]:3:[N:16]:[C:17]:2[H:55])([H:56])[C@@:38]([O:39][H:66])([H:67])[C@@:36]1([O:37][H:64])[H:65])([H:61])[H:62])(=[O:25])[O:26][H:57])(=[O:29])[O:30][H:58]